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Home > Boronic Acids > 850589-42-3
850589-42-3 | (4-(Benzylcarbamoyl)-3-chlorophenyl)boronic acid
CAS No: 850589-42-3 Catalog No: AG008GT0 MDL No:MFCD07363769
Product Description
Catalog Number:
AG008GT0
Chemical Name:
(4-(Benzylcarbamoyl)-3-chlorophenyl)boronic acid
CAS Number:
850589-42-3
Molecular Formula:
C14H13BClNO3
Molecular Weight:
289.5219
MDL Number:
MFCD07363769
IUPAC Name:
[4-(benzylcarbamoyl)-3-chlorophenyl]boronic acid
InChI:
InChI=1S/C14H13BClNO3/c16-13-8-11(15(19)20)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChI Key:
KPMFJSKLOSUPQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.522g/mol
Monoisotopic Mass:
289.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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